2-(diethylsulfamoylamino)ethanethioamide

C6H15N3O2S2 — CID 61127693

IUPAC2-(diethylsulfamoylamino)ethanethioamide
SMILESCCN(CC)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-9(4-2)13(10,11)8-5-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12)
InChIKeyRAJPBLPTQWRHHY-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.55
Rot. Bonds6

About 2-(diethylsulfamoylamino)ethanethioamide

2-(diethylsulfamoylamino)ethanethioamide (PubChem CID 61127693) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)ethanethioamide
PubChem CID61127693
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(diethylsulfamoylamino)ethanethioamide
SMILESCCN(CC)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-9(4-2)13(10,11)8-5-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12)
InChIKeyRAJPBLPTQWRHHY-UHFFFAOYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808244
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-(Dimethylsulfamoylamino)butanethioamide
CID 61125040
2-(Dimethylsulfamoylamino)ethanethioamide
CID 61127695
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454019
2-[Dimethylsulfamoyl(propyl)amino]ethanethioamide
CID 61877980
2-[Diethylsulfamoyl(methyl)amino]ethanethioamide
CID 61899594
2-[Ethyl(methylsulfonyl)amino]ethanethioamide
CID 61899819
2-[Dimethylsulfamoyl(ethyl)amino]ethanethioamide
CID 61900045
2-[Diethylsulfamoyl(ethyl)amino]ethanethioamide
CID 61900689

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)ethanethioamide (CID 61127693) is 2-(diethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)ethanethioamide is CCN(CC)S(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)ethanethioamide?
The InChIKey is RAJPBLPTQWRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-3-9(4-2)13(10,11)8-5-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12).
What are the key properties of 2-(diethylsulfamoylamino)ethanethioamide?
2-(diethylsulfamoylamino)ethanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 61127693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).